Incorporating solvent effects in DFT: insights from cation exchange in faujasites
Investigation of solvation effects emphasizes the importance of including explicit and implicit solvent for accurate DFT predictions on ion exchange.
Chemistry↗
Engineering topics
zur Loye, Hans-Conrad (ORCID:0000000173519098)
Publications and source records attributed to zur Loye, Hans-Conrad (ORCID:0000000173519098).